SCHEMBL7403264

SCHEMBL7403264

Cc1cc(N2CCN(CC(=O)c3ccc(OCC(=O)O)cc3)CC2)c2ccccc2n1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.80
METAP1 P53582 3/20 0.55
NCF1 P14598 5/20 0.53
KDR P35968 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ALDH1A1 P00352 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7402473 0.92 MAPT (0.79) MAPTMETAP1NCF1KDRMEN1
SCHEMBL8237815 0.89 MAPT (1.00) MAPTNCF1KDRMEN1KMT2A
SCHEMBL7404796 0.85 MAPT (0.58) MAPTMETAP1NCF1KDRLMNA
SCHEMBL7403964 0.83 MAPT (0.54) MAPTKDRMEN1KMT2ALMNA
SCHEMBL7400283 0.77 MAPT (0.58) MAPTMETAP1KDRMEN1KMT2A
SCHEMBL8605546 0.77 MEN1 (0.48) MAPTKDRMEN1KMT2ALMNA
SCHEMBL7395642 0.73 MAPT (0.52) MAPTMEN1KMT2ALMNAPKM
SCHEMBL7327928 0.73 HRH3 (0.59) MEN1KMT2AHTTALDH1A1
SCHEMBL8229816 0.73 NCF1 (0.76) MAPTNCF1MEN1KMT2ALMNA
SCHEMBL900155 0.72 NCF1 (0.82) MAPTNCF1MEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed